Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | DRD3 | P35462 | 1/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | BACE1 | P56817 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 4/20 | 0.38 |
| ▸ | MAPK6 | Q16659 | 3/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL18830415 | 0.93 | CDK1 (0.40) | DRD2DRD3ACHEBACE1CDK1 | |
| SCHEMBL18830059 | 0.89 | MAPK1 (0.43) | MAPK1MAPK6 | |
| SCHEMBL18830424 | 0.88 | CDK1 (0.46) | CDK1MAPK6 | |
| SCHEMBL18830090 | 0.83 | SYK (0.44) | MAPK6 | |
| SCHEMBL18830136 | 0.83 | SYK (0.42) | MAPK6 | |
| SCHEMBL18830098 | 0.83 | MKNK1 (0.42) | MAPK1MAPK6 | |
| SCHEMBL18830139 | 0.83 | MAPK6 (0.51) | DRD2DRD3MAPK6 | |
| SCHEMBL18830128 | 0.82 | MAPK6 (0.38) | MAPK1MAPK6 | |
| SCHEMBL18830257 | 0.82 | MEN1 (0.43) | MAPK6 | |
| SCHEMBL18830573 | 0.82 | CDK1 (0.40) | ACHEBACE1CDK1MAPK6 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964649-B1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2017-05-10 | — | — | EP | disclosed |